4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene

C19H23I — CID 170245098

IUPAC4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene
SMILESCc1c(I)cc(C2CCC(C)(C)CC2)c2ccccc12
InChIInChI=1S/C19H23I/c1-13-15-6-4-5-7-16(15)17(12-18(13)20)14-8-10-19(2,3)11-9-14/h4-7,12,14H,8-11H2,1-3H3
InChIKeyJRDYHROSBNOOGL-UHFFFAOYSA-N
MW378.30 g/mol
LogP6.44
Rot. Bonds1

About 4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene

4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene (PubChem CID 170245098) has the molecular formula C19H23I and a molecular weight of 378.30 g/mol. Its IUPAC name is 4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene.

Molecular Properties

Compound Name4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene
PubChem CID170245098
Molecular FormulaC19H23I
Molecular Weight378.30 g/mol
Exact Mass378.08
IUPAC Name4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene
SMILESCc1c(I)cc(C2CCC(C)(C)CC2)c2ccccc12
InChIInChI=1S/C19H23I/c1-13-15-6-4-5-7-16(15)17(12-18(13)20)14-8-10-19(2,3)11-9-14/h4-7,12,14H,8-11H2,1-3H3
InChIKeyJRDYHROSBNOOGL-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.30
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene?
The IUPAC name of 4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene (CID 170245098) is 4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene.
What is the SMILES notation for 4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene?
The canonical SMILES for 4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene is Cc1c(I)cc(C2CCC(C)(C)CC2)c2ccccc12.
What is the InChIKey of 4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene?
The InChIKey is JRDYHROSBNOOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23I/c1-13-15-6-4-5-7-16(15)17(12-18(13)20)14-8-10-19(2,3)11-9-14/h4-7,12,14H,8-11H2,1-3H3.
What are the key properties of 4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene?
4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene has a molecular weight of 378.30 g/mol, XLogP of 6.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylcyclohexyl)-2-iodo-1-methylnaphthalene is sourced from PubChem (CID 170245098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).